SCHEMBL13202041

SCHEMBL13202041

CN(C)COC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13202047 0.82
SCHEMBL5413469 0.81 GAA (0.34) GAAL3MBTL1HTTALDH1A1ALOX15
SCHEMBL15672481 0.79 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL1150231 0.78 GAA (0.40) GAAL3MBTL1HTT
SCHEMBL7512516 0.76 HIF1A (0.33) GAAL3MBTL1HTT
SCHEMBL10135284 0.76 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL16790813 0.76 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL15672512 0.76 GAA (0.39) GAAL3MBTL1HTT
SCHEMBL13227474 0.74 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL987059 0.74 GAA (0.38) GAAL3MBTL1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776182-B2 Chlorohydrin and cationic compounds having high affinity for pulp or paper CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-08-17 US disclosed
US-20080060775-A1 Chlorohydrin and cationic compounds having high affinity for pulp or paper CUNKLE GLEN T 2008-03-13 US disclosed
US-7312332-B2 Such as 1-butyl-3-hydroxy-1-[2-hydroxy-3-(1-oxyl-2,2,6,6-tetramethyl-piperidin-4-yloxy)-propyl]-azetidinium chloride; yellowing and discoloration prevention; ultraviolet, fluorescent and solar light stability; expanding use of high yield pulps to higher grade products CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-12-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080060775-A1 Chlorohydrin and cationic compounds having high affinity for pulp or paper NISCH, HNMT, LCT GAA 1880/4885L3MBTL1 834/4885HTT 372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.